REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2izl_1_B DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK VK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 A HA 0.000 4.373 4.320 0.088 0.000 0.244 13 A C 0.000 177.528 177.584 -0.093 0.000 1.274 13 A CA 0.000 52.059 52.037 0.037 0.000 0.836 13 A CB 0.000 19.030 19.000 0.051 0.000 0.831 14 E N 5.189 125.370 120.200 -0.033 0.000 2.085 14 E HA -0.408 3.728 4.350 -0.357 0.000 0.194 14 E C 1.545 178.045 176.600 -0.167 0.000 0.994 14 E CA 3.133 59.444 56.400 -0.149 0.000 0.801 14 E CB -0.532 29.163 29.700 -0.008 0.000 0.743 14 E HN 0.655 9.052 8.360 0.062 0.000 0.453 15 A N -2.516 120.249 122.820 -0.092 0.000 2.070 15 A HA -0.110 4.156 4.320 -0.089 0.000 0.220 15 A C 2.027 179.556 177.584 -0.092 0.000 1.159 15 A CA 2.205 54.194 52.037 -0.080 0.000 0.656 15 A CB -1.141 17.836 19.000 -0.038 0.000 0.800 15 A HN 0.345 8.464 8.150 -0.050 0.002 0.453 16 G N -1.390 107.335 108.800 -0.126 0.000 2.395 16 G HA2 -0.193 3.786 3.960 0.031 0.000 0.214 16 G HA3 -0.193 3.696 3.960 -0.117 0.000 0.214 16 G C 1.468 176.224 174.900 -0.241 0.000 1.177 16 G CA 1.208 46.241 45.100 -0.111 0.000 0.794 16 G HN -0.529 7.501 8.290 -0.139 0.177 0.532 17 I N 1.924 122.208 120.570 -0.477 0.000 2.233 17 I HA -0.310 3.738 4.170 -0.202 0.000 0.243 17 I C 0.026 176.089 176.117 -0.091 0.000 1.093 17 I CA 3.116 64.197 61.300 -0.365 0.000 1.380 17 I CB 0.284 37.894 38.000 -0.650 0.000 1.067 17 I HN -0.374 7.524 8.210 -0.519 0.000 0.413 18 T N 1.746 116.186 114.554 -0.190 0.000 2.905 18 T HA -0.426 3.971 4.350 -0.205 -0.170 0.299 18 T C -0.161 174.466 174.700 -0.121 0.000 1.024 18 T CA 3.454 65.456 62.100 -0.162 0.000 1.151 18 T CB -0.153 68.619 68.868 -0.159 0.000 0.987 18 T HN -0.279 7.813 8.240 -0.247 0.000 0.535 19 G N 5.361 114.071 108.800 -0.150 0.000 2.352 19 G HA2 -0.061 3.773 3.960 -0.210 0.000 0.283 19 G HA3 -0.061 3.696 3.960 -0.339 0.000 0.283 19 G C -3.030 171.718 174.900 -0.254 0.000 1.308 19 G CA 0.357 45.315 45.100 -0.237 0.000 0.892 19 G HN 0.325 8.507 8.290 -0.179 0.000 0.504 20 T N 2.408 116.760 114.554 -0.336 0.000 2.797 20 T HA 0.830 5.257 4.350 -0.146 -0.165 0.279 20 T C -1.142 173.361 174.700 -0.329 0.000 0.991 20 T CA 0.479 62.451 62.100 -0.214 0.000 0.979 20 T CB 1.938 70.728 68.868 -0.129 0.000 0.943 20 T HN 0.259 8.262 8.240 -0.395 0.000 0.444 21 W N 5.021 126.231 121.300 -0.150 0.000 2.950 21 W HA 0.684 5.348 4.660 -0.245 -0.152 0.340 21 W C -1.794 174.792 176.519 0.112 0.000 1.139 21 W CA -1.342 55.950 57.345 -0.087 0.000 1.188 21 W CB 4.078 33.561 29.460 0.038 0.000 1.426 21 W HN 0.935 9.190 8.180 0.125 0.000 0.531 22 Y N -4.551 116.042 120.300 0.487 0.000 2.512 22 Y HA 1.035 5.976 4.550 0.307 -0.207 0.348 22 Y C -1.634 174.430 175.900 0.273 0.000 0.990 22 Y CA -3.091 55.201 58.100 0.321 0.000 1.033 22 Y CB 2.189 40.739 38.460 0.150 0.000 1.259 22 Y HN 0.640 8.685 8.280 -0.393 0.000 0.461 23 N N 0.051 118.895 118.700 0.239 0.000 2.592 23 N HA 0.629 5.473 4.740 -0.139 -0.187 0.292 23 N C 2.084 177.637 175.510 0.073 0.000 1.260 23 N CA -3.080 49.902 53.050 -0.113 0.000 0.910 23 N CB 2.136 40.260 38.487 -0.605 0.000 1.257 23 N HN -0.227 8.312 8.380 0.265 0.000 0.569 24 Q N -1.046 118.767 119.800 0.022 0.000 2.439 24 Q HA -0.153 4.241 4.340 0.091 0.000 0.211 24 Q C 0.308 176.341 176.000 0.053 0.000 0.978 24 Q CA 2.342 58.182 55.803 0.062 0.000 0.897 24 Q CB -0.844 27.928 28.738 0.057 0.000 0.956 24 Q HN 0.346 8.583 8.270 -0.056 0.000 0.483 25 L N -4.070 117.185 121.223 0.052 0.000 2.607 25 L HA 0.024 4.389 4.340 0.043 0.000 0.228 25 L C 0.639 177.543 176.870 0.056 0.000 1.123 25 L CA -0.455 54.417 54.840 0.053 0.000 0.890 25 L CB 0.572 42.669 42.059 0.064 0.000 1.103 25 L HN -0.564 7.904 8.230 0.043 -0.212 0.468 26 G N -0.943 107.898 108.800 0.070 0.000 2.141 26 G HA2 -0.237 3.753 3.960 0.050 0.000 0.231 26 G HA3 -0.237 3.745 3.960 0.037 0.000 0.231 26 G C -0.472 174.476 174.900 0.081 0.000 0.984 26 G CA 0.247 45.383 45.100 0.060 0.000 0.660 26 G HN -0.110 8.135 8.290 0.084 0.095 0.525 27 S N 1.018 116.783 115.700 0.107 0.000 2.610 27 S HA 0.407 4.984 4.470 0.067 -0.067 0.273 27 S C -0.817 173.815 174.600 0.054 0.000 1.274 27 S CA 0.598 58.844 58.200 0.077 0.000 1.023 27 S CB 1.602 64.896 63.200 0.156 0.000 0.962 27 S HN -0.500 8.109 8.310 0.116 -0.230 0.523 28 T N 4.532 119.041 114.554 -0.076 0.000 2.823 28 T HA 0.546 5.123 4.350 0.132 -0.148 0.279 28 T C -1.603 172.983 174.700 -0.190 0.000 0.998 28 T CA 0.058 62.144 62.100 -0.022 0.000 0.994 28 T CB 1.705 70.578 68.868 0.010 0.000 0.960 28 T HN 0.435 8.597 8.240 -0.130 0.000 0.448 29 F N 8.588 128.416 119.950 -0.204 0.000 2.499 29 F HA 0.652 5.101 4.527 -0.357 -0.137 0.333 29 F C -3.103 172.619 175.800 -0.131 0.000 1.138 29 F CA -2.665 55.161 58.000 -0.291 0.000 0.945 29 F CB 3.533 42.288 39.000 -0.409 0.000 1.181 29 F HN 0.856 9.274 8.300 0.195 0.000 0.435 30 I N 8.087 128.486 120.570 -0.286 0.000 2.382 30 I HA 0.666 4.830 4.170 -0.294 -0.171 0.286 30 I C -2.127 173.710 176.117 -0.467 0.000 1.002 30 I CA -2.603 58.513 61.300 -0.307 0.000 1.135 30 I CB 0.560 38.470 38.000 -0.151 0.000 1.288 30 I HN 0.685 8.811 8.210 -0.141 0.000 0.448 31 V N 8.611 128.189 119.914 -0.561 0.000 3.078 31 V HA 0.793 4.843 4.120 -0.409 -0.175 0.311 31 V C -2.149 173.749 176.094 -0.326 0.000 1.138 31 V CA -2.655 59.327 62.300 -0.531 0.000 1.007 31 V CB 5.185 36.440 31.823 -0.946 0.000 1.045 31 V HN 0.855 8.761 8.190 -0.474 0.000 0.432 32 T N 8.832 123.235 114.554 -0.252 0.000 2.841 32 T HA 0.285 4.524 4.350 -0.186 0.000 0.285 32 T C -2.114 172.478 174.700 -0.179 0.000 0.991 32 T CA -0.618 61.373 62.100 -0.181 0.000 0.966 32 T CB 2.111 70.907 68.868 -0.119 0.000 0.962 32 T HN 0.205 8.299 8.240 -0.242 0.000 0.438 33 A N 7.167 129.865 122.820 -0.204 0.000 2.260 33 A HA 0.711 5.058 4.320 -0.198 -0.146 0.308 33 A C -0.886 176.687 177.584 -0.017 0.000 1.254 33 A CA -2.029 49.871 52.037 -0.229 0.000 0.874 33 A CB 1.540 20.219 19.000 -0.535 0.000 1.153 33 A HN 0.848 8.877 8.150 -0.201 0.000 0.527 34 G N 0.801 109.680 108.800 0.131 0.000 2.451 34 G HA2 0.227 4.222 3.960 0.058 0.000 0.303 34 G HA3 0.227 4.242 3.960 0.092 0.000 0.303 34 G C 0.108 175.107 174.900 0.165 0.000 1.166 34 G CA -1.203 43.966 45.100 0.116 0.000 0.884 34 G HN 0.681 8.985 8.290 0.201 0.107 0.514 35 A N 0.591 123.461 122.820 0.084 0.000 2.070 35 A HA -0.205 4.166 4.320 0.085 0.000 0.220 35 A C 0.234 177.824 177.584 0.009 0.000 1.159 35 A CA 2.191 54.262 52.037 0.056 0.000 0.656 35 A CB -0.180 18.838 19.000 0.029 0.000 0.800 35 A HN 0.456 8.639 8.150 0.056 0.000 0.453 36 D N -7.354 113.049 120.400 0.005 0.000 2.340 36 D HA -0.161 4.453 4.640 -0.043 0.000 0.220 36 D C 0.284 176.528 176.300 -0.093 0.000 1.039 36 D CA -0.884 53.096 54.000 -0.034 0.000 0.866 36 D CB -0.398 40.394 40.800 -0.012 0.000 0.913 36 D HN -0.345 8.002 8.370 0.029 0.041 0.523 37 G N -1.741 106.967 108.800 -0.153 0.000 2.159 37 G HA2 -0.426 2.825 3.960 -1.182 0.000 0.227 37 G HA3 -0.426 3.314 3.960 -0.367 0.000 0.227 37 G C -1.534 173.348 174.900 -0.031 0.000 0.986 37 G CA -0.051 44.797 45.100 -0.419 0.000 0.651 37 G HN -0.090 7.999 8.290 -0.049 0.171 0.523 38 A N 0.153 123.050 122.820 0.129 0.000 2.293 38 A HA 0.552 5.061 4.320 0.128 -0.112 0.302 38 A C -1.814 175.888 177.584 0.197 0.000 1.119 38 A CA -1.228 50.899 52.037 0.149 0.000 0.823 38 A CB 2.367 21.413 19.000 0.077 0.000 1.097 38 A HN -0.507 7.890 8.150 0.106 -0.183 0.491 39 L N 1.528 122.829 121.223 0.130 0.000 2.385 39 L HA 1.000 5.531 4.340 -0.024 -0.206 0.273 39 L C -0.138 176.735 176.870 0.005 0.000 0.990 39 L CA -1.503 53.358 54.840 0.035 0.000 0.821 39 L CB 3.055 45.137 42.059 0.039 0.000 1.279 39 L HN 0.161 8.466 8.230 0.124 0.000 0.412 40 T N -1.906 112.617 114.554 -0.052 0.000 2.883 40 T HA 0.808 5.305 4.350 -0.010 -0.153 0.301 40 T C -0.807 173.837 174.700 -0.092 0.000 1.158 40 T CA -2.118 59.957 62.100 -0.040 0.000 1.007 40 T CB 3.560 72.414 68.868 -0.023 0.000 1.186 40 T HN 0.064 8.247 8.240 -0.094 0.000 0.499 41 G N -0.349 108.414 108.800 -0.063 0.000 2.367 41 G HA2 0.230 4.138 3.960 -0.085 0.000 0.272 41 G HA3 0.230 4.300 3.960 -0.159 -0.205 0.272 41 G C -2.792 172.100 174.900 -0.013 0.000 1.271 41 G CA 1.065 46.114 45.100 -0.085 0.000 0.893 41 G HN -0.325 7.950 8.290 -0.024 0.000 0.485 42 T N -2.290 112.265 114.554 0.002 0.000 2.903 42 T HA 0.996 5.609 4.350 0.127 -0.187 0.299 42 T C -2.474 172.338 174.700 0.186 0.000 1.093 42 T CA -2.223 59.934 62.100 0.096 0.000 1.002 42 T CB 3.665 72.573 68.868 0.068 0.000 1.127 42 T HN 0.032 8.238 8.240 -0.056 0.000 0.488 43 Y N 1.701 122.092 120.300 0.152 0.000 2.442 43 Y HA 0.685 5.544 4.550 0.215 -0.181 0.344 43 Y C -2.544 173.566 175.900 0.350 0.000 0.976 43 Y CA -1.821 56.413 58.100 0.224 0.000 1.040 43 Y CB 4.583 43.145 38.460 0.169 0.000 1.228 43 Y HN 0.692 9.182 8.280 0.351 0.000 0.451 44 E N 7.386 127.693 120.200 0.179 0.000 2.216 44 E HA 0.531 5.331 4.350 0.530 -0.132 0.260 44 E C -1.886 174.886 176.600 0.286 0.000 0.880 44 E CA -1.873 54.714 56.400 0.311 0.000 0.765 44 E CB 3.693 33.479 29.700 0.144 0.000 1.174 44 E HN 0.402 8.598 8.360 -0.274 0.000 0.417 45 S N 6.746 122.735 115.700 0.482 0.000 2.585 45 S HA 0.094 4.805 4.470 0.402 0.000 0.277 45 S C 0.096 174.790 174.600 0.156 0.000 1.241 45 S CA -1.240 57.167 58.200 0.345 0.000 1.041 45 S CB 1.173 64.460 63.200 0.145 0.000 0.987 45 S HN 0.633 9.301 8.310 0.597 0.000 0.512 46 A N 6.117 129.003 122.820 0.110 0.000 2.178 46 A HA 0.133 4.488 4.320 0.058 0.000 0.211 46 A C -0.311 177.280 177.584 0.013 0.000 1.157 46 A CA 0.791 52.861 52.037 0.057 0.000 0.780 46 A CB 0.669 19.701 19.000 0.054 0.000 0.828 46 A HN 0.295 8.530 8.150 0.143 0.000 0.476 47 V N -5.698 114.202 119.914 -0.023 0.000 3.141 47 V HA 0.406 4.493 4.120 -0.055 0.000 0.312 47 V C -0.066 175.924 176.094 -0.173 0.000 1.157 47 V CA -1.666 60.588 62.300 -0.077 0.000 1.041 47 V CB 2.778 34.562 31.823 -0.066 0.000 1.071 47 V HN -0.454 7.684 8.190 -0.013 0.045 0.441 48 G N 1.050 109.749 108.800 -0.168 0.000 2.660 48 G HA2 -0.308 3.532 3.960 -0.200 0.000 0.247 48 G HA3 -0.308 3.428 3.960 -0.374 0.000 0.247 48 G C -1.260 173.525 174.900 -0.193 0.000 1.328 48 G CA -0.407 44.549 45.100 -0.241 0.000 0.884 48 G HN 0.356 8.576 8.290 -0.117 0.000 0.531 49 N N 2.653 121.219 118.700 -0.223 0.000 3.188 49 N HA 0.061 4.757 4.740 -0.074 0.000 0.279 49 N C -1.683 173.757 175.510 -0.116 0.000 1.213 49 N CA -1.098 51.877 53.050 -0.126 0.000 1.138 49 N CB -1.220 37.203 38.487 -0.107 0.000 1.417 49 N HN 0.055 8.259 8.380 -0.293 0.000 0.526 50 A N 2.038 124.820 122.820 -0.062 0.000 2.549 50 A HA 0.474 4.944 4.320 0.249 0.000 0.297 50 A C -2.337 175.381 177.584 0.224 0.000 1.061 50 A CA -0.815 51.285 52.037 0.104 0.000 0.690 50 A CB 3.087 22.005 19.000 -0.137 0.000 1.287 50 A HN -0.437 7.632 8.150 -0.062 0.045 0.402 51 E N 2.514 122.951 120.200 0.395 0.000 2.321 51 E HA 0.256 4.709 4.350 0.171 0.000 0.281 51 E C -1.079 175.615 176.600 0.158 0.000 0.910 51 E CA -0.768 55.760 56.400 0.212 0.000 0.770 51 E CB 2.523 32.285 29.700 0.103 0.000 1.225 51 E HN 0.480 9.244 8.360 0.673 0.000 0.417 52 S N 0.899 116.653 115.700 0.090 0.000 3.736 52 S HA -0.421 4.046 4.470 -0.006 0.000 0.635 52 S C -1.541 173.098 174.600 0.064 0.000 2.177 52 S CA 1.202 59.403 58.200 0.001 0.000 2.442 52 S CB 0.326 63.458 63.200 -0.114 0.000 0.329 52 S HN 0.365 8.732 8.310 0.096 0.000 1.710 53 R N -0.583 119.905 120.500 -0.019 0.000 2.536 53 R HA 0.356 5.018 4.340 0.267 -0.163 0.279 53 R C -0.790 175.428 176.300 -0.136 0.000 1.001 53 R CA -0.636 55.504 56.100 0.066 0.000 1.027 53 R CB 1.391 31.733 30.300 0.069 0.000 1.096 53 R HN -0.160 8.085 8.270 -0.040 0.000 0.502 54 Y N -1.575 118.837 120.300 0.187 0.000 2.536 54 Y HA 0.197 4.811 4.550 0.107 0.000 0.347 54 Y C -0.596 175.345 175.900 0.068 0.000 1.000 54 Y CA -1.160 57.010 58.100 0.117 0.000 1.051 54 Y CB 2.965 41.468 38.460 0.072 0.000 1.259 54 Y HN 0.219 8.773 8.280 0.456 0.000 0.468 55 V N 1.847 121.856 119.914 0.160 0.000 2.686 55 V HA 0.040 4.346 4.120 0.083 -0.136 0.295 55 V C -0.486 175.657 176.094 0.081 0.000 1.055 55 V CA 1.322 63.677 62.300 0.091 0.000 1.050 55 V CB 0.317 32.174 31.823 0.055 0.000 0.984 55 V HN 0.717 9.004 8.190 0.160 0.000 0.482 56 L N 1.751 123.021 121.223 0.078 0.000 2.371 56 L HA 1.068 5.646 4.340 0.102 -0.177 0.262 56 L C -1.490 175.430 176.870 0.083 0.000 1.006 56 L CA -1.589 53.312 54.840 0.102 0.000 0.818 56 L CB 4.289 46.426 42.059 0.129 0.000 1.354 56 L HN 0.186 8.454 8.230 0.064 0.000 0.415 57 T N 0.720 115.348 114.554 0.124 0.000 2.916 57 T HA 0.708 5.275 4.350 0.077 -0.170 0.305 57 T C -1.441 173.365 174.700 0.177 0.000 1.119 57 T CA -1.565 60.599 62.100 0.106 0.000 1.008 57 T CB 2.394 71.306 68.868 0.072 0.000 1.129 57 T HN -0.205 8.137 8.240 0.170 0.000 0.480 58 G N 1.953 110.853 108.800 0.165 0.000 2.554 58 G HA2 0.628 4.707 3.960 0.198 0.000 0.306 58 G HA3 0.628 4.905 3.960 0.311 -0.130 0.306 58 G C -2.936 172.071 174.900 0.179 0.000 1.320 58 G CA 0.695 45.924 45.100 0.216 0.000 0.800 58 G HN 0.116 8.479 8.290 0.122 0.000 0.481 59 R N -3.234 117.387 120.500 0.202 0.000 2.774 59 R HA 1.158 5.813 4.340 0.200 -0.195 0.272 59 R C -1.718 174.741 176.300 0.265 0.000 1.000 59 R CA -2.397 53.814 56.100 0.186 0.000 0.906 59 R CB 4.901 35.257 30.300 0.093 0.000 1.227 59 R HN -0.022 8.383 8.270 0.225 0.000 0.468 60 Y N -2.882 117.447 120.300 0.048 0.000 2.655 60 Y HA 0.572 5.279 4.550 0.065 -0.118 0.336 60 Y C -2.155 173.766 175.900 0.035 0.000 1.154 60 Y CA -2.445 55.683 58.100 0.047 0.000 1.055 60 Y CB 2.302 40.777 38.460 0.025 0.000 1.295 60 Y HN 0.287 8.607 8.280 0.067 0.000 0.465 61 D N 0.779 121.180 120.400 0.002 0.000 2.336 61 D HA 0.054 4.598 4.640 -0.161 0.000 0.249 61 D C -0.043 176.140 176.300 -0.195 0.000 1.213 61 D CA -0.851 53.089 54.000 -0.100 0.000 0.870 61 D CB 0.360 41.181 40.800 0.036 0.000 1.076 61 D HN -0.266 8.230 8.370 0.212 0.000 0.483 62 S N 5.256 120.720 115.700 -0.393 0.000 2.631 62 S HA -0.036 4.343 4.470 -0.151 0.000 0.217 62 S C -0.098 174.469 174.600 -0.056 0.000 0.958 62 S CA 0.034 58.066 58.200 -0.279 0.000 0.920 62 S CB 0.526 63.493 63.200 -0.387 0.000 0.776 62 S HN 0.214 8.296 8.310 -0.380 0.000 0.517 63 A N 1.186 123.987 122.820 -0.032 0.000 3.410 63 A HA 0.390 4.724 4.320 0.022 0.000 0.276 63 A C -2.853 174.747 177.584 0.027 0.000 0.995 63 A CA -1.705 50.335 52.037 0.005 0.000 0.934 63 A CB 0.084 19.077 19.000 -0.012 0.000 1.191 63 A HN -0.350 7.978 8.150 -0.051 -0.209 0.511 64 P HA -0.010 4.623 4.420 0.057 -0.179 0.274 64 P C -0.522 176.812 177.300 0.057 0.000 1.256 64 P CA -0.682 62.460 63.100 0.069 0.000 0.795 64 P CB 0.961 32.728 31.700 0.112 0.000 1.038 65 A N 0.660 123.513 122.820 0.054 0.000 2.462 65 A HA -0.004 4.337 4.320 0.036 0.000 0.243 65 A C 0.626 178.239 177.584 0.047 0.000 1.076 65 A CA 0.017 52.080 52.037 0.043 0.000 0.773 65 A CB 0.228 19.251 19.000 0.038 0.000 1.010 65 A HN 0.088 8.273 8.150 0.058 0.000 0.493 66 T N -0.736 113.841 114.554 0.039 0.000 3.393 66 T HA 0.033 4.410 4.350 0.046 0.000 0.248 66 T C -0.956 173.764 174.700 0.033 0.000 0.992 66 T CA -0.106 62.017 62.100 0.038 0.000 0.929 66 T CB -0.887 68.001 68.868 0.032 0.000 1.065 66 T HN 0.085 8.345 8.240 0.033 0.000 0.597 67 D N 2.084 122.505 120.400 0.034 0.000 2.723 67 D HA 0.060 4.716 4.640 0.025 0.000 0.247 67 D C 0.623 176.940 176.300 0.029 0.000 1.134 67 D CA -1.350 52.666 54.000 0.028 0.000 1.099 67 D CB 0.157 40.972 40.800 0.024 0.000 1.287 67 D HN -0.836 7.448 8.370 0.038 0.109 0.634 68 G N -2.359 106.455 108.800 0.023 0.000 3.530 68 G HA2 0.036 4.009 3.960 0.021 0.000 0.269 68 G HA3 0.036 4.005 3.960 0.015 0.000 0.269 68 G C -0.458 174.454 174.900 0.021 0.000 1.314 68 G CA -0.261 44.851 45.100 0.020 0.000 1.441 68 G HN 0.099 8.401 8.290 0.020 0.000 0.595 69 S N 1.450 117.168 115.700 0.030 0.000 2.616 69 S HA 0.118 4.605 4.470 0.028 0.000 0.277 69 S C 0.185 174.812 174.600 0.045 0.000 1.234 69 S CA 0.109 58.330 58.200 0.035 0.000 1.028 69 S CB 1.937 65.162 63.200 0.041 0.000 0.988 69 S HN -0.803 7.549 8.310 0.035 -0.021 0.522 70 G N 0.523 109.351 108.800 0.047 0.000 2.580 70 G HA2 0.236 4.272 3.960 0.041 0.000 0.278 70 G HA3 0.236 4.227 3.960 0.053 0.000 0.278 70 G C -1.124 173.847 174.900 0.118 0.000 1.212 70 G CA -0.652 44.485 45.100 0.063 0.000 0.939 70 G HN 0.085 8.400 8.290 0.041 0.000 0.513 71 T N 3.688 118.357 114.554 0.191 0.000 2.743 71 T HA 0.134 4.593 4.350 0.181 0.000 0.292 71 T C -0.804 174.022 174.700 0.211 0.000 0.972 71 T CA 0.264 62.502 62.100 0.231 0.000 0.967 71 T CB 1.140 70.214 68.868 0.343 0.000 0.926 71 T HN 0.096 8.464 8.240 0.213 0.000 0.459 72 A N 9.341 132.260 122.820 0.163 0.000 2.425 72 A HA 0.586 5.158 4.320 0.140 -0.169 0.249 72 A C -1.433 176.260 177.584 0.182 0.000 1.084 72 A CA -0.228 51.896 52.037 0.145 0.000 0.781 72 A CB 1.062 20.123 19.000 0.101 0.000 1.019 72 A HN 0.743 8.978 8.150 0.141 0.000 0.490 73 L N -4.234 117.098 121.223 0.182 0.000 2.892 73 L HA 0.969 5.548 4.340 0.220 -0.107 0.269 73 L C -1.471 175.522 176.870 0.205 0.000 1.058 73 L CA -1.348 53.626 54.840 0.223 0.000 0.923 73 L CB 2.831 45.048 42.059 0.263 0.000 1.518 73 L HN 0.201 8.526 8.230 0.159 0.000 0.402 74 G N -3.518 105.436 108.800 0.256 0.000 2.632 74 G HA2 0.667 4.831 3.960 0.093 0.000 0.292 74 G HA3 0.667 4.688 3.960 0.103 0.000 0.292 74 G C -3.435 171.673 174.900 0.348 0.000 1.465 74 G CA 0.978 46.192 45.100 0.190 0.000 0.824 74 G HN -0.109 8.359 8.290 0.296 0.000 0.509 75 W N -2.865 118.489 121.300 0.091 0.000 3.066 75 W HA 0.714 5.515 4.660 0.062 -0.103 0.330 75 W C -3.139 173.459 176.519 0.133 0.000 1.253 75 W CA -1.459 55.930 57.345 0.074 0.000 1.187 75 W CB 2.233 31.701 29.460 0.014 0.000 1.434 75 W HN 0.440 8.528 8.180 -0.153 0.000 0.572 76 T N 1.531 116.244 114.554 0.265 0.000 2.893 76 T HA 0.876 5.446 4.350 0.047 -0.192 0.291 76 T C -1.518 173.257 174.700 0.125 0.000 1.028 76 T CA -0.571 61.601 62.100 0.120 0.000 0.995 76 T CB 3.063 71.951 68.868 0.034 0.000 1.051 76 T HN 0.498 8.939 8.240 0.335 0.000 0.470 77 V N 3.692 123.570 119.914 -0.061 0.000 2.623 77 V HA 0.306 4.447 4.120 -0.189 -0.135 0.304 77 V C -2.308 173.435 176.094 -0.585 0.000 1.054 77 V CA -1.191 60.904 62.300 -0.342 0.000 0.882 77 V CB 3.733 35.136 31.823 -0.700 0.000 1.002 77 V HN 0.442 8.561 8.190 -0.117 0.000 0.424 78 A N 5.283 127.859 122.820 -0.406 0.000 2.276 78 A HA 0.535 4.801 4.320 -0.269 -0.108 0.316 78 A C -0.104 177.292 177.584 -0.313 0.000 1.229 78 A CA -1.652 50.225 52.037 -0.267 0.000 0.851 78 A CB 1.474 20.432 19.000 -0.071 0.000 1.165 78 A HN 0.709 8.703 8.150 -0.259 0.000 0.513 79 W N 5.478 126.733 121.300 -0.076 0.000 1.435 79 W HA -0.119 4.256 4.660 -0.475 0.000 0.471 79 W C -1.371 175.210 176.519 0.102 0.000 0.590 79 W CA -1.196 56.031 57.345 -0.196 0.000 2.419 79 W CB -0.965 28.304 29.460 -0.319 0.000 1.251 79 W HN 0.662 8.786 8.180 -0.093 0.000 0.338 80 K N 1.313 121.954 120.400 0.402 0.000 2.471 80 K HA 0.704 5.419 4.320 0.318 -0.204 0.252 80 K C -1.649 175.124 176.600 0.289 0.000 0.938 80 K CA -1.190 55.286 56.287 0.314 0.000 0.796 80 K CB 3.031 35.617 32.500 0.143 0.000 1.161 80 K HN -0.245 8.121 8.250 0.330 0.081 0.425 81 N N 5.226 124.014 118.700 0.148 0.000 3.387 81 N HA 0.255 4.977 4.740 -0.031 0.000 0.322 81 N C -0.610 174.831 175.510 -0.114 0.000 1.588 81 N CA -1.373 51.643 53.050 -0.058 0.000 0.778 81 N CB 0.878 39.172 38.487 -0.321 0.000 1.883 81 N HN 0.646 9.130 8.380 0.173 0.000 0.628 82 N N -1.574 116.958 118.700 -0.279 0.000 2.521 82 N HA 0.025 4.588 4.740 -0.295 0.000 0.188 82 N C -0.127 174.960 175.510 -0.704 0.000 1.146 82 N CA 2.179 54.927 53.050 -0.503 0.000 0.893 82 N CB 0.027 38.111 38.487 -0.672 0.000 0.975 82 N HN 0.143 8.368 8.380 -0.259 0.000 0.451 83 Y N -2.396 117.887 120.300 -0.028 0.000 2.581 83 Y HA 0.137 4.685 4.550 -0.003 0.000 0.271 83 Y C -0.391 175.521 175.900 0.020 0.000 1.100 83 Y CA 1.004 59.100 58.100 -0.008 0.000 1.281 83 Y CB 2.079 40.527 38.460 -0.020 0.000 1.237 83 Y HN -0.364 8.035 8.280 -0.152 -0.210 0.514 84 R N -1.416 119.185 120.500 0.167 0.000 2.764 84 R HA 0.330 4.730 4.340 0.099 0.000 0.270 84 R C -3.059 173.325 176.300 0.141 0.000 1.014 84 R CA -1.244 54.945 56.100 0.149 0.000 0.904 84 R CB 3.722 34.144 30.300 0.202 0.000 1.236 84 R HN -0.109 8.547 8.270 0.146 -0.299 0.466 85 N N 1.654 120.381 118.700 0.045 0.000 2.500 85 N HA 0.375 5.333 4.740 0.068 -0.177 0.291 85 N C -0.882 174.492 175.510 -0.226 0.000 1.092 85 N CA 0.122 53.133 53.050 -0.064 0.000 0.890 85 N CB 1.025 39.408 38.487 -0.174 0.000 1.466 85 N HN 0.096 8.485 8.380 0.016 0.000 0.507 86 A N 4.746 127.501 122.820 -0.108 0.000 2.348 86 A HA 0.158 4.405 4.320 -0.120 0.000 0.224 86 A C -0.104 177.448 177.584 -0.054 0.000 1.227 86 A CA -0.119 51.859 52.037 -0.100 0.000 0.885 86 A CB 0.800 19.775 19.000 -0.042 0.000 0.933 86 A HN 0.470 8.642 8.150 0.037 0.000 0.506 87 H N -1.908 117.216 119.070 0.088 0.000 2.677 87 H HA -0.370 4.227 4.556 0.069 0.000 0.321 87 H C -1.875 173.489 175.328 0.060 0.000 1.171 87 H CA 1.068 57.154 56.048 0.063 0.000 1.139 87 H CB -3.013 26.770 29.762 0.035 0.000 1.515 87 H HN -0.036 8.327 8.280 -0.274 -0.248 0.423 88 S N -4.870 110.936 115.700 0.177 0.000 2.638 88 S HA 0.937 5.605 4.470 0.115 -0.129 0.274 88 S C -2.498 172.238 174.600 0.227 0.000 1.157 88 S CA -1.193 57.110 58.200 0.172 0.000 0.826 88 S CB 4.208 67.485 63.200 0.129 0.000 1.139 88 S HN -0.326 8.095 8.310 0.185 0.000 0.474 89 A N -1.152 121.759 122.820 0.151 0.000 2.520 89 A HA 0.794 5.158 4.320 -0.149 -0.133 0.298 89 A C -2.348 175.215 177.584 -0.035 0.000 1.051 89 A CA -0.336 51.696 52.037 -0.008 0.000 0.690 89 A CB 3.862 22.829 19.000 -0.056 0.000 1.281 89 A HN 0.674 8.889 8.150 0.109 0.000 0.402 90 T N 3.888 118.336 114.554 -0.176 0.000 2.863 90 T HA 1.072 5.482 4.350 -0.270 -0.222 0.285 90 T C -0.685 173.746 174.700 -0.449 0.000 1.009 90 T CA -1.289 60.593 62.100 -0.363 0.000 0.989 90 T CB 2.692 71.168 68.868 -0.654 0.000 1.004 90 T HN 0.752 8.790 8.240 -0.337 0.000 0.455 91 T N 1.581 115.864 114.554 -0.451 0.000 2.861 91 T HA 0.761 5.164 4.350 -0.226 -0.188 0.287 91 T C -1.367 173.073 174.700 -0.434 0.000 1.003 91 T CA -1.828 60.085 62.100 -0.312 0.000 0.977 91 T CB 2.537 71.308 68.868 -0.162 0.000 0.996 91 T HN 0.315 8.310 8.240 -0.409 0.000 0.448 92 W N 4.956 125.880 121.300 -0.626 0.000 2.529 92 W HA 0.457 5.088 4.660 -0.289 -0.144 0.321 92 W C -1.339 174.865 176.519 -0.525 0.000 1.047 92 W CA -1.322 55.619 57.345 -0.674 0.000 1.216 92 W CB 3.276 31.850 29.460 -1.476 0.000 1.357 92 W HN 0.894 8.860 8.180 -0.357 0.000 0.489 93 S N 2.104 117.757 115.700 -0.078 0.000 2.532 93 S HA 0.698 5.278 4.470 -0.021 -0.122 0.299 93 S C -1.023 173.599 174.600 0.037 0.000 1.105 93 S CA -1.613 56.573 58.200 -0.023 0.000 1.018 93 S CB 1.447 64.636 63.200 -0.018 0.000 1.021 93 S HN 0.535 8.830 8.310 -0.026 0.000 0.483 94 G N 3.788 112.632 108.800 0.074 0.000 2.450 94 G HA2 0.548 4.561 3.960 0.088 0.000 0.273 94 G HA3 0.548 4.770 3.960 0.136 -0.180 0.273 94 G C -3.433 171.544 174.900 0.128 0.000 1.221 94 G CA 0.848 46.013 45.100 0.108 0.000 0.900 94 G HN 0.271 8.610 8.290 0.082 0.000 0.483 95 Q N -3.544 116.339 119.800 0.139 0.000 2.418 95 Q HA 0.829 5.439 4.340 0.175 -0.165 0.282 95 Q C -2.521 173.581 176.000 0.170 0.000 1.044 95 Q CA -2.002 53.891 55.803 0.151 0.000 0.813 95 Q CB 4.432 33.236 28.738 0.110 0.000 1.428 95 Q HN -0.130 8.224 8.270 0.140 0.000 0.402 96 Y N 2.699 123.038 120.300 0.065 0.000 2.330 96 Y HA 0.576 5.303 4.550 0.030 -0.159 0.336 96 Y C -2.361 173.589 175.900 0.083 0.000 1.036 96 Y CA -1.581 56.549 58.100 0.049 0.000 1.125 96 Y CB 2.360 40.834 38.460 0.024 0.000 1.194 96 Y HN 0.738 9.077 8.280 0.287 0.113 0.469 97 V N 8.140 127.692 119.914 -0.603 0.000 2.443 97 V HA 0.301 4.186 4.120 -0.393 0.000 0.293 97 V C -1.352 174.264 176.094 -0.798 0.000 1.021 97 V CA -1.114 60.886 62.300 -0.499 0.000 0.848 97 V CB 3.393 35.112 31.823 -0.173 0.000 0.998 97 V HN 0.429 8.335 8.190 -0.473 0.000 0.424 98 G N 4.101 112.464 108.800 -0.727 0.000 2.552 98 G HA2 0.634 4.405 3.960 -0.315 0.000 0.318 98 G HA3 0.634 4.514 3.960 -0.134 0.000 0.318 98 G C -0.942 173.903 174.900 -0.092 0.000 1.240 98 G CA -1.409 43.481 45.100 -0.349 0.000 1.002 98 G HN 0.225 8.208 8.290 -0.511 0.000 0.493 99 G N -1.886 106.916 108.800 0.004 0.000 2.260 99 G HA2 -0.190 3.784 3.960 0.023 0.000 0.250 99 G HA3 -0.190 3.768 3.960 -0.003 0.000 0.250 99 G C -0.883 174.028 174.900 0.019 0.000 1.340 99 G CA -0.394 44.713 45.100 0.011 0.000 1.056 99 G HN -0.130 8.193 8.290 0.055 0.000 0.471 100 A N -0.244 122.584 122.820 0.014 0.000 1.898 100 A HA -0.045 4.281 4.320 0.010 0.000 0.216 100 A C -0.204 177.388 177.584 0.013 0.000 1.181 100 A CA 1.356 53.401 52.037 0.012 0.000 0.620 100 A CB 0.290 19.297 19.000 0.012 0.000 0.819 100 A HN 0.062 8.218 8.150 0.011 0.000 0.442 101 E N -1.096 119.115 120.200 0.019 0.000 2.256 101 E HA 0.110 4.477 4.350 0.027 0.000 0.243 101 E C -2.159 174.466 176.600 0.041 0.000 0.925 101 E CA -1.332 55.087 56.400 0.032 0.000 0.748 101 E CB 0.333 30.056 29.700 0.038 0.000 1.206 101 E HN -0.023 8.347 8.360 0.016 0.000 0.428 102 A N 4.925 127.780 122.820 0.057 0.000 2.331 102 A HA 0.251 4.731 4.320 0.006 -0.157 0.283 102 A C -0.946 176.800 177.584 0.270 0.000 1.142 102 A CA -0.403 51.701 52.037 0.111 0.000 0.812 102 A CB 1.719 20.843 19.000 0.206 0.000 1.074 102 A HN 0.261 8.432 8.150 0.035 0.000 0.497 103 R N -0.820 119.827 120.500 0.246 0.000 2.808 103 R HA 0.881 5.726 4.340 0.558 -0.170 0.272 103 R C -1.792 174.645 176.300 0.227 0.000 0.995 103 R CA -2.865 53.436 56.100 0.335 0.000 0.917 103 R CB 4.798 35.214 30.300 0.193 0.000 1.217 103 R HN 0.388 8.692 8.270 0.056 0.000 0.471 104 I N 0.624 121.324 120.570 0.217 0.000 2.439 104 I HA 0.485 4.938 4.170 0.126 -0.207 0.285 104 I C -1.719 174.561 176.117 0.271 0.000 1.021 104 I CA -1.121 60.258 61.300 0.132 0.000 1.091 104 I CB 2.707 40.636 38.000 -0.118 0.000 1.242 104 I HN -0.034 8.372 8.210 0.327 0.000 0.439 105 N N 8.583 127.411 118.700 0.213 0.000 2.419 105 N HA 0.532 5.421 4.740 0.248 0.000 0.277 105 N C -0.729 174.917 175.510 0.227 0.000 1.006 105 N CA -0.949 52.228 53.050 0.213 0.000 0.923 105 N CB 2.149 40.716 38.487 0.133 0.000 1.140 105 N HN 0.171 8.651 8.380 0.166 0.000 0.488 106 T N -0.196 114.529 114.554 0.285 0.000 2.865 106 T HA 0.675 5.265 4.350 0.183 -0.131 0.294 106 T C -1.153 173.687 174.700 0.233 0.000 1.119 106 T CA -1.960 60.303 62.100 0.271 0.000 1.007 106 T CB 3.500 72.614 68.868 0.411 0.000 1.225 106 T HN 0.602 9.031 8.240 0.315 0.000 0.515 107 Q N 0.041 119.926 119.800 0.141 0.000 2.372 107 Q HA 0.710 5.171 4.340 -0.047 -0.149 0.273 107 Q C -1.772 174.218 176.000 -0.017 0.000 1.078 107 Q CA -0.885 54.915 55.803 -0.006 0.000 0.806 107 Q CB 4.959 33.663 28.738 -0.056 0.000 1.332 107 Q HN 0.146 8.489 8.270 0.121 0.000 0.435 108 W N -0.955 120.243 121.300 -0.169 0.000 2.962 108 W HA 0.962 5.525 4.660 -0.414 -0.151 0.341 108 W C -2.972 173.361 176.519 -0.309 0.000 1.155 108 W CA -2.947 54.161 57.345 -0.394 0.000 1.165 108 W CB 3.514 32.493 29.460 -0.801 0.000 1.435 108 W HN 0.980 8.689 8.180 -0.604 0.108 0.546 109 L N -0.028 121.237 121.223 0.071 0.000 2.376 109 L HA 0.727 5.299 4.340 0.067 -0.191 0.275 109 L C -1.764 175.137 176.870 0.052 0.000 0.987 109 L CA -1.244 53.629 54.840 0.054 0.000 0.828 109 L CB 2.534 44.568 42.059 -0.041 0.000 1.249 109 L HN 0.231 8.417 8.230 -0.074 0.000 0.409 110 L N 5.753 127.056 121.223 0.133 0.000 2.316 110 L HA 0.692 5.171 4.340 -0.061 -0.175 0.280 110 L C -1.754 175.124 176.870 0.013 0.000 1.006 110 L CA -1.605 53.244 54.840 0.015 0.000 0.836 110 L CB 2.963 45.012 42.059 -0.017 0.000 1.221 110 L HN 0.811 9.167 8.230 0.210 0.000 0.418 111 T N 9.802 124.354 114.554 -0.003 0.000 2.797 111 T HA 0.706 5.273 4.350 -0.015 -0.226 0.279 111 T C -0.692 174.013 174.700 0.007 0.000 0.991 111 T CA -0.432 61.664 62.100 -0.007 0.000 0.979 111 T CB 1.711 70.572 68.868 -0.012 0.000 0.943 111 T HN 0.649 8.883 8.240 -0.010 0.000 0.444 112 S N 6.387 122.083 115.700 -0.007 0.000 2.593 112 S HA 0.375 4.997 4.470 0.040 -0.128 0.297 112 S C -0.151 174.451 174.600 0.003 0.000 1.112 112 S CA -0.444 57.760 58.200 0.008 0.000 1.043 112 S CB 2.512 65.701 63.200 -0.019 0.000 1.054 112 S HN 0.183 8.477 8.310 -0.027 0.000 0.516 113 G N 1.309 110.125 108.800 0.026 0.000 2.380 113 G HA2 0.002 3.959 3.960 -0.004 0.000 0.262 113 G HA3 0.002 3.963 3.960 0.003 0.000 0.262 113 G C -1.273 173.613 174.900 -0.023 0.000 1.243 113 G CA 0.413 45.514 45.100 0.001 0.000 0.865 113 G HN 0.230 8.559 8.290 0.065 0.000 0.513 114 T N 1.195 115.729 114.554 -0.033 0.000 2.838 114 T HA 0.203 4.527 4.350 -0.044 0.000 0.292 114 T C -0.678 174.003 174.700 -0.031 0.000 1.113 114 T CA -1.712 60.362 62.100 -0.043 0.000 1.008 114 T CB 2.354 71.182 68.868 -0.068 0.000 1.259 114 T HN -0.211 8.012 8.240 -0.028 0.000 0.520 115 T N -2.000 112.539 114.554 -0.025 0.000 2.882 115 T HA 0.106 4.449 4.350 -0.012 0.000 0.287 115 T C 1.048 175.752 174.700 0.005 0.000 1.014 115 T CA -0.972 61.123 62.100 -0.009 0.000 1.049 115 T CB 1.297 70.163 68.868 -0.002 0.000 1.001 115 T HN -0.083 8.139 8.240 -0.030 0.000 0.525 116 E N 2.026 122.236 120.200 0.016 0.000 2.160 116 E HA -0.393 3.975 4.350 0.029 0.000 0.195 116 E C 2.060 178.699 176.600 0.065 0.000 0.991 116 E CA 2.915 59.335 56.400 0.033 0.000 0.810 116 E CB -0.193 29.524 29.700 0.029 0.000 0.742 116 E HN 0.551 8.918 8.360 0.011 0.000 0.466 117 A N -1.735 121.125 122.820 0.068 0.000 2.014 117 A HA -0.089 4.307 4.320 0.126 0.000 0.218 117 A C 0.700 178.395 177.584 0.186 0.000 1.163 117 A CA 2.110 54.217 52.037 0.116 0.000 0.652 117 A CB -0.397 18.655 19.000 0.088 0.000 0.808 117 A HN 0.158 8.306 8.150 0.047 0.030 0.449 118 N N -3.514 115.236 118.700 0.083 0.000 2.235 118 N HA 0.143 4.899 4.740 0.027 0.000 0.209 118 N C 0.485 175.895 175.510 -0.167 0.000 1.122 118 N CA -0.625 52.403 53.050 -0.036 0.000 0.845 118 N CB 0.328 38.759 38.487 -0.093 0.000 1.004 118 N HN -0.447 7.819 8.380 0.043 0.140 0.499 119 A N 1.009 123.822 122.820 -0.012 0.000 1.972 119 A HA -0.115 4.165 4.320 -0.067 0.000 0.219 119 A C 1.721 179.292 177.584 -0.022 0.000 1.169 119 A CA 2.992 55.016 52.037 -0.022 0.000 0.635 119 A CB -0.417 18.607 19.000 0.041 0.000 0.810 119 A HN -0.626 7.379 8.150 0.072 0.188 0.446 120 W N -5.005 116.293 121.300 -0.005 0.000 2.341 120 W HA -0.252 4.404 4.660 -0.007 0.000 0.283 120 W C -0.298 176.218 176.519 -0.006 0.000 1.215 120 W CA 0.724 58.066 57.345 -0.006 0.000 1.211 120 W CB -1.023 28.433 29.460 -0.007 0.000 1.131 120 W HN -0.024 8.326 8.180 0.316 0.019 0.552 121 K N -1.622 118.306 120.400 -0.786 0.000 2.832 121 K HA 0.380 4.421 4.320 -0.465 0.000 0.211 121 K C 0.003 176.369 176.600 -0.391 0.000 1.112 121 K CA -0.485 55.350 56.287 -0.755 0.000 1.108 121 K CB -0.457 31.197 32.500 -1.410 0.000 0.899 121 K HN -0.820 6.796 8.250 -1.004 0.032 0.464 122 S N -0.155 115.406 115.700 -0.231 0.000 2.503 122 S HA -0.007 4.370 4.470 -0.156 0.000 0.217 122 S C -0.872 173.678 174.600 -0.085 0.000 0.999 122 S CA 1.289 59.405 58.200 -0.140 0.000 0.914 122 S CB 1.118 64.264 63.200 -0.090 0.000 0.782 122 S HN -0.157 7.975 8.310 -0.186 0.067 0.520 123 T N 4.865 119.376 114.554 -0.071 0.000 2.786 123 T HA 0.583 5.152 4.350 -0.021 -0.232 0.283 123 T C -0.410 174.276 174.700 -0.023 0.000 0.992 123 T CA -0.191 61.889 62.100 -0.034 0.000 0.954 123 T CB 2.001 70.854 68.868 -0.024 0.000 0.934 123 T HN -0.657 7.533 8.240 -0.084 0.000 0.440 124 L N 6.362 127.598 121.223 0.022 0.000 2.344 124 L HA 0.536 4.868 4.340 -0.013 0.000 0.272 124 L C -1.381 175.492 176.870 0.005 0.000 1.035 124 L CA -0.823 54.043 54.840 0.044 0.000 0.807 124 L CB 2.616 44.772 42.059 0.160 0.000 1.237 124 L HN 0.731 8.987 8.230 0.043 0.000 0.442 125 V N 0.505 120.289 119.914 -0.217 0.000 2.789 125 V HA 1.003 5.034 4.120 -0.515 -0.219 0.311 125 V C -1.403 174.098 176.094 -0.988 0.000 1.073 125 V CA -2.441 59.554 62.300 -0.508 0.000 0.921 125 V CB 3.605 35.258 31.823 -0.283 0.000 1.009 125 V HN 0.043 8.121 8.190 -0.187 0.000 0.426 126 G N 5.245 113.038 108.800 -1.679 0.000 2.634 126 G HA2 0.292 3.756 3.960 -0.827 0.000 0.309 126 G HA3 0.292 2.930 3.960 -2.204 0.000 0.309 126 G C -3.348 170.793 174.900 -1.266 0.000 1.299 126 G CA 0.322 44.446 45.100 -1.627 0.000 0.798 126 G HN 0.043 7.378 8.290 -1.593 0.000 0.490 127 H N -3.913 114.779 119.070 -0.630 0.000 2.974 127 H HA 0.458 4.994 4.556 -0.174 -0.084 0.366 127 H C -1.816 173.639 175.328 0.212 0.000 1.155 127 H CA -1.447 54.504 56.048 -0.162 0.000 1.186 127 H CB 3.448 33.145 29.762 -0.107 0.000 1.799 127 H HN 0.043 7.790 8.280 -0.888 0.000 0.541 128 D N 0.881 121.528 120.400 0.411 0.000 2.732 128 D HA 0.293 5.153 4.640 0.165 -0.122 0.229 128 D C -1.320 175.083 176.300 0.172 0.000 1.152 128 D CA -0.282 53.878 54.000 0.266 0.000 0.854 128 D CB 4.470 45.436 40.800 0.276 0.000 1.590 128 D HN -0.003 8.642 8.370 0.459 0.000 0.468 129 T N 4.100 118.655 114.554 0.003 0.000 2.824 129 T HA 0.595 5.241 4.350 0.233 -0.156 0.282 129 T C -1.190 173.478 174.700 -0.054 0.000 0.993 129 T CA -0.133 62.026 62.100 0.098 0.000 0.967 129 T CB 2.060 71.008 68.868 0.133 0.000 0.960 129 T HN 0.359 8.861 8.240 -0.064 -0.301 0.441 130 F N 6.295 126.374 119.950 0.214 0.000 2.480 130 F HA 0.597 5.459 4.527 0.232 -0.195 0.329 130 F C -0.024 175.958 175.800 0.303 0.000 1.091 130 F CA -1.454 56.694 58.000 0.246 0.000 0.972 130 F CB 3.259 42.397 39.000 0.231 0.000 1.150 130 F HN 0.760 9.352 8.300 0.488 0.000 0.467 131 T N 4.062 118.771 114.554 0.258 0.000 2.856 131 T HA 0.398 4.887 4.350 0.232 0.000 0.283 131 T C -1.319 173.149 174.700 -0.387 0.000 1.008 131 T CA -0.516 61.578 62.100 -0.011 0.000 0.997 131 T CB 2.508 71.311 68.868 -0.109 0.000 0.992 131 T HN 0.733 9.014 8.240 0.069 0.000 0.454 132 K N 6.436 126.534 120.400 -0.503 0.000 2.174 132 K HA 0.298 3.973 4.320 -1.285 -0.127 0.275 132 K C -0.854 175.417 176.600 -0.548 0.000 1.015 132 K CA -0.606 55.042 56.287 -1.065 0.000 0.933 132 K CB 1.494 33.067 32.500 -1.546 0.000 1.025 132 K HN -0.237 7.851 8.250 -0.270 0.000 0.463 133 V N 3.573 123.227 119.914 -0.433 0.000 2.837 133 V HA 0.100 4.235 4.120 0.024 0.000 0.310 133 V C -0.712 175.273 176.094 -0.182 0.000 1.059 133 V CA -1.386 60.855 62.300 -0.098 0.000 1.004 133 V CB 1.515 33.376 31.823 0.063 0.000 1.045 133 V HN 0.418 8.261 8.190 -0.579 0.000 0.465 134 K N 0.000 120.343 120.400 -0.095 0.000 2.780 134 K HA 0.000 4.240 4.320 -0.133 0.000 0.191 134 K CA 0.000 56.229 56.287 -0.097 0.000 0.838 134 K CB 0.000 32.463 32.500 -0.062 0.000 1.064 134 K HN 0.000 8.228 8.250 -0.037 0.000 0.543